Information card for entry 2239258

Structure parameters

• Chemical name: (Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate
• Formula: C33 H39 B N2 O
• Calculated formula: C33 H39 B N2 O
• Title of publication: (Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate
• Authors of publication: Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o459
• a: 11.2463 ± 0.0004 Å
• b: 17.7975 ± 0.0009 Å
• c: 14.6666 ± 0.0007 Å
• α: 90°
• β: 100.821 ± 0.003°
• γ: 90°
• Cell volume: 2883.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes